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All-electron calculation of nonadiabatic couplings from time-dependent density functional theory: Probing with the Hartree–Fock exact exchange

Chunping Hu, Osamu Sugino, Yoshitaka Tateyama.
The Journal of Chemical Physics 131 [11] 114101. 2009.

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      作成時刻: 2016-05-24 15:51:53 +0900更新時刻: 2024-05-01 08:59:03 +0900

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